Geometry & MOs

Info

ID:	430047
PubChem CID:	135170104
Reduced:	SO11H20C21 (1)
Stoich.:	AB11C20D21 (1)
Weight, g/mol:	303.109314
ΔH_f, kcal/mol:	-310.97
Dipole, Da:	6.33
IP(EA), eV:	-9.88(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylsulfanylphenyl)methyl]-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC(C2)(CC1C3=O)C(=O)OC4=C5C(=C6C(OC4=C6O5)O)C(=O)OCCS(=O)(=O)O

DOS

IR

Vibrations